1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol

C16H23NO3 — CID 169451737

IUPAC1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol
SMILESCNCC(c1ccc(OC)cc1)C1(O)CCCC=C1O
InChIInChI=1S/C16H23NO3/c1-17-11-14(12-6-8-13(20-2)9-7-12)16(19)10-4-3-5-15(16)18/h5-9,14,17-19H,3-4,10-11H2,1-2H3
InChIKeyUACHLUOPSPZGCC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol

1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol (PubChem CID 169451737) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol
PubChem CID169451737
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol
SMILESCNCC(c1ccc(OC)cc1)C1(O)CCCC=C1O
InChIInChI=1S/C16H23NO3/c1-17-11-14(12-6-8-13(20-2)9-7-12)16(19)10-4-3-5-15(16)18/h5-9,14,17-19H,3-4,10-11H2,1-2H3
InChIKeyUACHLUOPSPZGCC-UHFFFAOYSA-N
XLogP2.36
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-one
CID 169451572
4-hydroxy-4-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-one
CID 169451569
2-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-3-ene-1,2-diol
CID 169451605
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-4-ene-1,3-diol
CID 169451476
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 159239397
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 81016213
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohex-2-en-1-ol
CID 70451025
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile;methane;2-(4-methoxyphenyl)acetonitrile;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 158231819
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;molecular hydrogen
CID 169430824
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 118042370

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol (CID 169451737) is 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol is CNCC(c1ccc(OC)cc1)C1(O)CCCC=C1O.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol?
The InChIKey is UACHLUOPSPZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-11-14(12-6-8-13(20-2)9-7-12)16(19)10-4-3-5-15(16)18/h5-9,14,17-19H,3-4,10-11H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol?
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol has a molecular weight of 277.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohex-2-ene-1,2-diol is sourced from PubChem (CID 169451737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).